| SpectraBase Spectrum ID |
7ldNQezy0lT |
| Name |
Delta(4)-cholestene-22,25-diol-3-one |
| Alternate Name(s) |
(9S,10R,13S,14S,17R)-17-((2S)-3,6-dihydroxy-6-methylheptan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-17(24(29)12-13-25(2,3)30)21-8-9-22-20-7-6-18-16-19(28)10-14-26(18,4)23(20)11-15-27(21,22)5/h16-17,20-24,29-30H,6-15H2,1-5H3/t17-,20?,21+,22-,23-,24?,26-,27+/m0/s1 |
| InChIKey |
CLLPYJSPFOBNLE-JACHJOJISA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
OC(CCC([C@]([C@@]1([C@@]2([C@](C3[C@]([C@@]4(C(=CC(=O)CC4)CC3)C)([H])CC2)(CC1)[H])C)[H])(C)[H])O)(C)C |
| SPLASH |
splash10-016s-0449400000-ae83fbfda2abebb6627a |
| Source of Spectrum |
JX-2015-6-7769 |
| Wiley ID |
1729738 |
